2-[4,7-bis(1-oxidanyl-1-oxidanylidene-propan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid

Systemtic Name: 2-[4,7-bis(1-oxidanyl-1-oxidanylidene-propan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid Openeye Name: 2-[4,7-bis(2-hydroxy-1-methyl-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid CAS Name: 2-[4,7-bis(1-hydroxy-1-oxopropan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid IUPAC Name: 2-[4,7-bis(1-hydroxy-1-oxopropan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid Traditional Name: 2-[4,7-bis(2-hydroxy-2-keto-1-methyl-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]propionic acid Formula: C17H32N4O6 MolecularWeight: 388.45918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCNCCN(CCN(CC1)C(C)C(=O)O)C(C)C(=O)O

Isomeric SMILES

CC(C(=O)O)N1CCNCCN(CCN(CC1)C(C)C(=O)O)C(C)C(=O)O

InChI

InChI=1S/C17H32N4O6/c1-12(15(22)23)19-6-4-18-5-7-20(13(2)16(24)25)9-11-21(10-8-19)14(3)17(26)27/h12-14,18H,4-11H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)